Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
SMILES ClC1(N=N1)c1ccc(cc1)c1ccccc1
InChI Key JVPAVUZKMXZLNV-UHFFFAOYSA-N
Molecular Formula C13H9ClN2
Exact Mass 228.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-phenylphenyl)diazirine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Feb29-2024

    date : 20240301

    starting time : 2.26 h

    label : KT-774

    id : 297463

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    12022816 PubChem
    J731.158C Nikkaji
    The data in this table is sourced from UniChem at EBI.